Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 11 results

Search term: MBXHULDEJNNQLN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2270280

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)
C17H18N2O7362.3340218800
10380433

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12-,13-,15-/m1/s1
C17H18N2O7362.3348600
5432864

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12-,13+,15-/m1/s1
C17H18N2O7362.3346300
5463889

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13+,15-/m0/s1
C17H18N2O7362.3342100
5463892

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13-,15-/m0/s1
C17H18N2O7362.3342100
5463894

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13-,15+/m0/s1
C17H18N2O7362.3342100
5031811

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13+,15+/m0/s1
C17H18N2O7362.3342100
29788589

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12?,13?,15-/m1/s1/i1D3
C17H15D3N2O7365.35251100
29788591

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12?,13?,15-/m1/s1
C17H18N2O7362.3341100
111308410

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13?,15-/m1/s1/i1D3
C17H15D3N2O7365.35251100
113618287

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H18N2O7/c1-9-7-19(17(24)18-14(9)22)15-13(21)12(20)11(26-15)8-25-16(23)10-5-3-2-4-6-10/h2-7,11-13,15,20-21H,8H2,1H3,(H,18,22,24)/t11-,12+,13?,15-/m1/s1
C17H18N2O7362.3341100

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